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ASINEX-ZINC00851097

 MMsINC code: MMs00192552
Type: Neutral
Formula: C15H16ClNO3S
SMILES:   Clc1c2c(cccc2)c(S(=O)(=O)NCC2OCCC2)cc1
InChI:   InChI=1/C15H16ClNO3S/c16-14-7-8-15(13-6-2-1-5-12(13)14)21(18,19)17-10-11-4-3-9-20-11/h1-2,5-8,11,17H,3-4,9-10H2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=47.1844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.816 g/mol  logS: -4.53005  SlogP: 2.9505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174994  Sterimol/B1: 2.60354  Sterimol/B2: 4.09655  Sterimol/B3: 5.48979
  Sterimol/B4: 7.16258  Sterimol/L: 13.9822 
 
 Surface and Volume Properties
  Accessible surface: 536.026  Positive charged surface: 287.584  Negative charged surface: 239.192  Volume: 281.75
  Hydrophobic surface: 454.502  Hydrophilic surface: 81.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.